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Chrysoine Resorcinol

CAS: 547-57-9 | C12H10N2NaO5S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 547-57-9
Molecular Formula: C12H10N2NaO5S
Molecular Weight: 317.278 g/mol

Names and Synonyms:

Chrysoine Resorcinol
Tropaeolin O
Food Yellow No. 8
Food Yellow 8
Tropaeolin
Chrysoin
Orange VI
C Yellow 12
Acid Orange 6
E 103
E 103 (dye)
Tropeolin O
Chrysonine S
Yellow T
Tropaeoline
Tropaeolin R
Tertracid Yellow TRO
Sodium azoresorcinolsulfanilate
Resorcin yellow
Resorcinol Yellow A
Resorcinol yellow
Resorcine Yellow O Extra
Resorcine Yellow
Orange Acid G
Neklacid Yellow G
Naphthazine Yellow RP
Hispacid Yellow CG
Gold yellow
Eurocert Chrysoine S
Eniacid Yellow RS
2,4-Dihydroxyazobenzene-4′-sulfonate sodium salt
Dermina Yellow G
Curol Orange G
C.I. Food Yellow 8
Chrysoin S Specially Pure
Chrysoine S Extra Pure
Chrysoine Extra Pure A
Chrysoine Extra
Chrysoine S
Chrysoine N
Chrysoine
Chrysoin G
Cetil Chromine Yellow GR
Acme Yellow Acid Yellow RS
Acid Phosphine G New
Acid Leather Yellow PGW
C.I. 14270
Benzenesulfonic acid, p-(2,4-dihydroxyphenylazo)-, sodium salt
Benzenesulfonic acid, 4-[(2,4-dihydroxyphenyl)azo]-, monosodium salt
C.I. Acid Orange 6, monosodium salt
C.I. Acid Orange 6
Chrysoin S
Benzenesulfonic acid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-, sodium salt (1:1)

Identifiers:

SMILES:
O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1.[Na]
InChI:
InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 317.278 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 317.0208117 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 21 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 3 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 3 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 119.55000000000001 Ų RDKit

Physical Properties

Property Value Source
LogP 2.3791 RDKit
molecular_mass 317.28 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Chrysoine_resorcinol None Legacy Database
cas-canonical-smile [Na].O=S(=O)(O)C1=CC=C(N=NC2=CC=C(O)C=C2O)C=C1 None Legacy Database
cas-inchi InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19); None Legacy Database
cas-inchi-key InChIKey=IHFYTCCYSYGTME-UHFFFAOYSA-N None Legacy Database
cas-name C.I. Acid Orange 6 None Legacy Database
wikipedia-name Chrysoine resorcinol None Legacy Database

Molar

Property Value Source
Molar Refractivity 75.95820000000002 RDKit

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